S217-0277 Screening compound: 1'-isobutyryl-5-methyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

S217-0277 Screening compound: 1'-isobutyryl-5-methyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]
S217-0277 Screening compound: 1'-isobutyryl-5-methyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine] alternative view

Chemical Structure Depiction of ChemDiv screening compound S217-0277
1'-isobutyryl-5-methyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S217-0277

Molecular Formula

C20H26N4O (C20 H26 N4 O)

Compound Name

1'-isobutyryl-5-methyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

IUPAC name

2-methyl-1-{8'-methyl-2'5'8'-triazaspiro[piperidine-47'-tricyclo[8.4.0.0^{26}]tetradecane]-1'(10')3'5'11'13'-pentaen-1-yl}propan-1-one

SMILES

CC(C)C(N(CC1)CCC11N(C)Cc(cccc2)c2-n2c1ncc2)=O

InChI

InChI=1S/C20H26N4O/c1-15(2)18(25)23-11-8-20(9-12-23)19-21-10-13-24(19)17-7-5-4-6-16(17)14-22(20)3/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3

InChI Key

YFPHVCHEIPFOSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.462

Distribution Coefficient, logD

2.211

Water Solubility, LogSw

-2.43

Polar Surface Area

31.704

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S217-0277 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Female
  • Skin
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S217-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S217-0277?
Check Price and Availability of S217-0277, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S217-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S217-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S217-0277
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S217-0277 available by request